1-(4-chloro-7-cyclohexa-1,5-dien-1-yl-1H-indazol-6-yl)ethanamine

C15H16ClN3 — CID 145307697

IUPAC1-(4-chloro-7-cyclohexa-1,5-dien-1-yl-1H-indazol-6-yl)ethanamine
SMILESCC(N)c1cc(Cl)c2cn[nH]c2c1C1=CCCC=C1
InChIInChI=1S/C15H16ClN3/c1-9(17)11-7-13(16)12-8-18-19-15(12)14(11)10-5-3-2-4-6-10/h3,5-9H,2,4,17H2,1H3,(H,18,19)
InChIKeyGRNWYINQMPQPDC-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.97
Rot. Bonds2

About 1-(4-chloro-7-cyclohexa-1,5-dien-1-yl-1H-indazol-6-yl)ethanamine

1-(4-chloro-7-cyclohexa-1,5-dien-1-yl-1H-indazol-6-yl)ethanamine (PubChem CID 145307697) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 1-(4-chloro-7-cyclohexa-1,5-dien-1-yl-1H-indazol-6-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-7-cyclohexa-1,5-dien-1-yl-1H-indazol-6-yl)ethanamine
PubChem CID145307697
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name1-(4-chloro-7-cyclohexa-1,5-dien-1-yl-1H-indazol-6-yl)ethanamine
SMILESCC(N)c1cc(Cl)c2cn[nH]c2c1C1=CCCC=C1
InChIInChI=1S/C15H16ClN3/c1-9(17)11-7-13(16)12-8-18-19-15(12)14(11)10-5-3-2-4-6-10/h3,5-9H,2,4,17H2,1H3,(H,18,19)
InChIKeyGRNWYINQMPQPDC-UHFFFAOYSA-N
XLogP3.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-7-cyclohexa-1,5-dien-1-yl-1H-indazol-6-yl)ethanamine?
The IUPAC name of 1-(4-chloro-7-cyclohexa-1,5-dien-1-yl-1H-indazol-6-yl)ethanamine (CID 145307697) is 1-(4-chloro-7-cyclohexa-1,5-dien-1-yl-1H-indazol-6-yl)ethanamine.
What is the SMILES notation for 1-(4-chloro-7-cyclohexa-1,5-dien-1-yl-1H-indazol-6-yl)ethanamine?
The canonical SMILES for 1-(4-chloro-7-cyclohexa-1,5-dien-1-yl-1H-indazol-6-yl)ethanamine is CC(N)c1cc(Cl)c2cn[nH]c2c1C1=CCCC=C1.
What is the InChIKey of 1-(4-chloro-7-cyclohexa-1,5-dien-1-yl-1H-indazol-6-yl)ethanamine?
The InChIKey is GRNWYINQMPQPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-9(17)11-7-13(16)12-8-18-19-15(12)14(11)10-5-3-2-4-6-10/h3,5-9H,2,4,17H2,1H3,(H,18,19).
What are the key properties of 1-(4-chloro-7-cyclohexa-1,5-dien-1-yl-1H-indazol-6-yl)ethanamine?
1-(4-chloro-7-cyclohexa-1,5-dien-1-yl-1H-indazol-6-yl)ethanamine has a molecular weight of 273.77 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-7-cyclohexa-1,5-dien-1-yl-1H-indazol-6-yl)ethanamine is sourced from PubChem (CID 145307697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).